SCHEMBL9531306

SCHEMBL9531306

C#CCCc1nc(C(CC)(OC)OC)nn1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 11/20 0.39
AGTR2 P50052 11/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9528927 0.94 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9528892 0.92 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL9528009 0.91 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9532879 0.89 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL9528318 0.89 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL9532355 0.88 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9527939 0.88 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9528569 0.88 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9531032 0.88 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL9553185 0.87 AGTR1 (0.38) AGTR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0527851-A1 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1993-02-24 EP disclosed
WO-1991017148-A1 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1991-11-14 WO disclosed